BioLiP

PDB

BioLiP

PDB CCD ID:

A1H8Q

Number of entries in BioLiP:

Chemical formula:

C8 H9 N5 O S

InChI:

InChI=1S/C8H9N5OS/c1-2-13-11-8(10-12-13)9-7(14)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,9,11,14)

InChIKey:

ZYKKUUSFFJTRPG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCn1nc(nn1)NC(=O)c2cccs2
CACTVS 3.385	CCn1nnc(NC(=O)c2sccc2)n1

Name:

~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide

ChEMBL:

CHEMBL4930730

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).